Re: [AMBER] is there a batch queue app?

From: Scott Le Grand <varelse2005.gmail.com>
Date: Fri, 1 Jun 2012 12:06:17 -0700

You can use gridengine but you need to manually specify which device you're
running on with CUDA_VISIBLE_DEVICES on a per queue basis...



On Fri, Jun 1, 2012 at 11:58 AM, Jonathan Gough
<jonathan.d.gough.gmail.com>wrote:

> is there a batch queue app that people use to run amber calculations on a
> single machine?
>
> I am familiar with pbs/torque/moab for clusters. But does anyone use or
> has anyone built one for a single machine and use it to run amber
> calculations?
>
> (I know someone built a simple one to run to run gamess calcs (gamessQ).
>
> Thanks,
> Jonathan
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Received on Fri Jun 01 2012 - 12:30:02 PDT
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